200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 870966-65-7
870966-65-7 | Pyrrolidine, 1-(4,5,7-trinitro-1-naphthalenyl)-
CAS No: 870966-65-7 Catalog No: AG004UW2 MDL No:
Product Description
Catalog Number:
AG004UW2
Chemical Name:
Pyrrolidine, 1-(4,5,7-trinitro-1-naphthalenyl)-
CAS Number:
870966-65-7
Molecular Formula:
C14H12N4O6
Molecular Weight:
332.2683
IUPAC Name:
1-(4,5,7-trinitronaphthalen-1-yl)pyrrolidine
InChI:
InChI=1S/C14H12N4O6/c19-16(20)9-7-10-11(15-5-1-2-6-15)3-4-12(17(21)22)14(10)13(8-9)18(23)24/h3-4,7-8H,1-2,5-6H2
InChI Key:
IHNCBRWZYYBRHH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1)c(ccc2[N+](=O)[O-])N1CCCC1
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.076g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.272g/mol
Monoisotopic Mass:
332.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.